(2R)-3-naphthalen-1-yloxypropane-1,2-diol

C13H14O3 — CID 6604764

IUPAC(2R)-3-naphthalen-1-yloxypropane-1,2-diol
SMILESOC[C@@H](O)COc1cccc2ccccc12
InChIInChI=1S/C13H14O3/c14-8-11(15)9-16-13-7-3-5-10-4-1-2-6-12(10)13/h1-7,11,14-15H,8-9H2/t11-/m1/s1
InChIKeyBYNNMWGWFIGTIC-LLVKDONJSA-N
MW218.25 g/mol
LogP1.57
Rot. Bonds4

About (2R)-3-naphthalen-1-yloxypropane-1,2-diol

(2R)-3-naphthalen-1-yloxypropane-1,2-diol (PubChem CID 6604764) has the molecular formula C13H14O3 and a molecular weight of 218.25 g/mol. Its IUPAC name is (2R)-3-naphthalen-1-yloxypropane-1,2-diol.

Molecular Properties

Compound Name(2R)-3-naphthalen-1-yloxypropane-1,2-diol
PubChem CID6604764
Molecular FormulaC13H14O3
Molecular Weight218.25 g/mol
Exact Mass218.09
IUPAC Name(2R)-3-naphthalen-1-yloxypropane-1,2-diol
SMILESOC[C@@H](O)COc1cccc2ccccc12
InChIInChI=1S/C13H14O3/c14-8-11(15)9-16-13-7-3-5-10-4-1-2-6-12(10)13/h1-7,11,14-15H,8-9H2/t11-/m1/s1
InChIKeyBYNNMWGWFIGTIC-LLVKDONJSA-N
XLogP1.57
TPSA49.69 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.25
LogP ≤ 51.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze (2R)-3-naphthalen-1-yloxypropane-1,2-diol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (2R)-3-naphthalen-1-yloxypropane-1,2-diol?
The IUPAC name of (2R)-3-naphthalen-1-yloxypropane-1,2-diol (CID 6604764) is (2R)-3-naphthalen-1-yloxypropane-1,2-diol.
What is the SMILES notation for (2R)-3-naphthalen-1-yloxypropane-1,2-diol?
The canonical SMILES for (2R)-3-naphthalen-1-yloxypropane-1,2-diol is OC[C@@H](O)COc1cccc2ccccc12.
What is the InChIKey of (2R)-3-naphthalen-1-yloxypropane-1,2-diol?
The InChIKey is BYNNMWGWFIGTIC-LLVKDONJSA-N. The full InChI is InChI=1S/C13H14O3/c14-8-11(15)9-16-13-7-3-5-10-4-1-2-6-12(10)13/h1-7,11,14-15H,8-9H2/t11-/m1/s1.
What are the key properties of (2R)-3-naphthalen-1-yloxypropane-1,2-diol?
(2R)-3-naphthalen-1-yloxypropane-1,2-diol has a molecular weight of 218.25 g/mol, XLogP of 1.57, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-3-naphthalen-1-yloxypropane-1,2-diol is sourced from PubChem (CID 6604764), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).